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1. Ohvo-Rekila, H; Ramstedt, B; Leppimaki, P; Slotte, JP
   Cholesterol interactions with phospholipids in membranes
   PROGRESS IN LIPID RESEARCH
   
   H. Ohvo-Rekila et al., "Cholesterol interactions with phospholipids in membranes", PROG LIPID, 41(1), 2002, pp. 66-97
2. Yarovsky, I; Evans, E
   Computer simulation of structure and properties of crosslinked polymers: application to epoxy resins
   POLYMER
   
   I. Yarovsky e E. Evans, "Computer simulation of structure and properties of crosslinked polymers: application to epoxy resins", POLYMER, 43(3), 2002, pp. 963-969
3. Okada, O; Furuya, H; Kanaya, T
   Molecular dynamics simulation of cis-1,4-polybutadiene. 2. Chain motion and origin of the fast process
   POLYMER
   
   O. Okada et al., "Molecular dynamics simulation of cis-1,4-polybutadiene. 2. Chain motion and origin of the fast process", POLYMER, 43(3), 2002, pp. 977-982
4. Grigoras, S; Gusev, AA; Santos, S; Suter, UW
   Evaluation of the elastic constants of nanoparticles from atomistic simulations
   POLYMER
   
   S. Grigoras et al., "Evaluation of the elastic constants of nanoparticles from atomistic simulations", POLYMER, 43(2), 2002, pp. 489-494
5. Jin, WZ; Boyd, RH
   Time evolution of dynamic heterogeneity in a polymeric glass: a molecular dynamics simulation study
   POLYMER
   
   W.Z. Jin e R.H. Boyd, "Time evolution of dynamic heterogeneity in a polymeric glass: a molecular dynamics simulation study", POLYMER, 43(2), 2002, pp. 503-507
6. Faller, R; Muller-Plathe, F
   Modeling of poly(isoprene) melts on different scales
   POLYMER
   
   R. Faller e F. Muller-Plathe, "Modeling of poly(isoprene) melts on different scales", POLYMER, 43(2), 2002, pp. 621-628
7. Ettrich, R; Melichercik, M; Teisinger, J; Ettrichova, O; Krumscheid, R; Hofbauerova, K; Kvasnicka, P; Schoner, W; Amler, E
   Three-dimensional structure of the large cytoplasmic H-4-H-5 loop of Na+/K+-ATPase deduced by restraint-based comparative modeling shows only one ATPbinding site
   JOURNAL OF MOLECULAR MODELING
   
   R. Ettrich et al., "Three-dimensional structure of the large cytoplasmic H-4-H-5 loop of Na+/K+-ATPase deduced by restraint-based comparative modeling shows only one ATPbinding site", J MOL MODEL, 7(6), 2001, pp. 184-192
8. Sherman, DM
   Quantum chemistry and classical simulations of metal complexes in aqueous solutions
   MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
   
   D.M. Sherman, "Quantum chemistry and classical simulations of metal complexes in aqueous solutions", REV MIN GEO, 42, 2001, pp. 273-317
9. Krishnamoorthy, I; Krishnamoorthy, G
   Probing the link between proton transport and water content in lipid membranes
   JOURNAL OF PHYSICAL CHEMISTRY B
   
   I. Krishnamoorthy e G. Krishnamoorthy, "Probing the link between proton transport and water content in lipid membranes", J PHYS CH B, 105(7), 2001, pp. 1484-1488
10. Hasegawa, T; Nishijo, J; Imae, T; Huo, Q; Leblanc, RM
    Selective observation of boundary water near a solid/water interface by variable-angle polarization specific attenuated total reflection infrared spectroscopy and principal-component analysis
    JOURNAL OF PHYSICAL CHEMISTRY B
    
    T. Hasegawa et al., "Selective observation of boundary water near a solid/water interface by variable-angle polarization specific attenuated total reflection infrared spectroscopy and principal-component analysis", J PHYS CH B, 105(48), 2001, pp. 12056-12060
11. Clancy, TC; Jang, JH; Dhinojwala, A; Mattice, WL
    Orientation of phenyl rings and methylene bisectors at the free surface ofatactic polystyrene
    JOURNAL OF PHYSICAL CHEMISTRY B
    
    T.C. Clancy et al., "Orientation of phenyl rings and methylene bisectors at the free surface ofatactic polystyrene", J PHYS CH B, 105(46), 2001, pp. 11493-11497
12. Mizutani, Y; Kitagawa, T
    Ultrafast structural relaxation of myoglobin following photodissociation of carbon monoxide probed by time-resolved resonance Raman spectroscopy
    JOURNAL OF PHYSICAL CHEMISTRY B
    
    Y. Mizutani e T. Kitagawa, "Ultrafast structural relaxation of myoglobin following photodissociation of carbon monoxide probed by time-resolved resonance Raman spectroscopy", J PHYS CH B, 105(44), 2001, pp. 10992-10999
13. Branca, C; Magazu, S; Maisano, G; Migliardo, F; Migliardo, P; Romeo, G
    alpha,alpha-trehalose/water solutions. 5. Hydration and viscosity in dilute and semidilute disaccharide solutions
    JOURNAL OF PHYSICAL CHEMISTRY B
    
    C. Branca et al., "alpha,alpha-trehalose/water solutions. 5. Hydration and viscosity in dilute and semidilute disaccharide solutions", J PHYS CH B, 105(41), 2001, pp. 10140-10145
14. Lefohn, AE; Ovchinnikov, M; Voth, GA
    A multistate empirical valence bond approach to a polarizable and flexiblewater model
    JOURNAL OF PHYSICAL CHEMISTRY B
    
    A.E. Lefohn et al., "A multistate empirical valence bond approach to a polarizable and flexiblewater model", J PHYS CH B, 105(28), 2001, pp. 6628-6637
15. Vikhrenko, VS; Schwarzer, D; Schroeder, J
    Microscopic description of vibrational energy relaxation in supercritical fluids: On the dominance of binary solute-solvent contributions
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    V.S. Vikhrenko et al., "Microscopic description of vibrational energy relaxation in supercritical fluids: On the dominance of binary solute-solvent contributions", PHYS CHEM P, 3(6), 2001, pp. 1000-1010
16. Wright, K; Cygan, RT; Slater, B
    Structure of the (10(1)over-bar4) surfaces of calcite, dolomite and magnesite under wet and dry conditions
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    K. Wright et al., "Structure of the (10(1)over-bar4) surfaces of calcite, dolomite and magnesite under wet and dry conditions", PHYS CHEM P, 3(5), 2001, pp. 839-844
17. Cao, DP; Wang, WC
    Grand canonical Monte Carlo simulation of methane adsorbed in layered pillared pores
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    D.P. Cao e W.C. Wang, "Grand canonical Monte Carlo simulation of methane adsorbed in layered pillared pores", PHYS CHEM P, 3(15), 2001, pp. 3150-3155
18. de Leeuw, NH; Parker, SC
    Surface-water interactions in the dolomite problem
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    N.H. de Leeuw e S.C. Parker, "Surface-water interactions in the dolomite problem", PHYS CHEM P, 3(15), 2001, pp. 3217-3221
19. Svedung, H; Krems, R; Markovic, N; Nordholm, S
    Pair-potential model for simulation of collisional energy transfer: quantum effects and hardness dependence
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    H. Svedung et al., "Pair-potential model for simulation of collisional energy transfer: quantum effects and hardness dependence", PHYS CHEM P, 3(12), 2001, pp. 2216-2222
20. Kab, G; Vikhrenko, VS
    Vibrational cooling of a highly excited anharmonic oscillator: Evidence for strong vibration-rotation coupling during relaxation
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    G. Kab e V.S. Vikhrenko, "Vibrational cooling of a highly excited anharmonic oscillator: Evidence for strong vibration-rotation coupling during relaxation", PHYS CHEM P, 3(12), 2001, pp. 2223-2229
21. Ermoshin, VA; Engel, V
    Femtosecond pump-probe fluorescence signals from classical trajectories: comparison with wave-packet calculations
    EUROPEAN PHYSICAL JOURNAL D
    
    V.A. Ermoshin e V. Engel, "Femtosecond pump-probe fluorescence signals from classical trajectories: comparison with wave-packet calculations", EUR PHY J D, 15(3), 2001, pp. 413-422
22. van Gunsteren, WF; Burgi, P; Peter, C; Daura, X
    The key to solving the protein-folding problem lies in an accurate description of the denatured state
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    W.F. van Gunsteren et al., "The key to solving the protein-folding problem lies in an accurate description of the denatured state", ANGEW CHEM, 40(2), 2001, pp. 351-355
23. Iovino, M; Falconi, M; Marcellini, A; Desideri, A
    Molecular dynamics simulation of the antimicrobial salivary peptide histatin-5 in water and in trifluoroethanol: a microscopic description of the water destructuring effect
    JOURNAL OF PEPTIDE RESEARCH
    
    M. Iovino et al., "Molecular dynamics simulation of the antimicrobial salivary peptide histatin-5 in water and in trifluoroethanol: a microscopic description of the water destructuring effect", J PEPT RES, 58(1), 2001, pp. 45-55
24. Lung, FDT; Lang, YQ; King, CR; Varady, J; Wu, XW; Wang, S; Roller, PP
    Functional preference of the constituent amino acid residues in a phage-library-based nonphosphorylated inhibitor of the Grb2-SH2 domain
    JOURNAL OF PEPTIDE RESEARCH
    
    F.D.T. Lung et al., "Functional preference of the constituent amino acid residues in a phage-library-based nonphosphorylated inhibitor of the Grb2-SH2 domain", J PEPT RES, 57(6), 2001, pp. 447-454
25. Kissel, R; Urbassek, HM
    Sputtering of a Au surface covered with large spherical clusters
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    
    R. Kissel e H.M. Urbassek, "Sputtering of a Au surface covered with large spherical clusters", INT J MASS, 208(1-3), 2001, pp. 29-35
26. Carles, S; Desfrancois, C; Schermann, JP; Berges, J; Houee-Levin, C
    Rydberg electron-transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral and anion dimers
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    
    S. Carles et al., "Rydberg electron-transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral and anion dimers", INT J MASS, 205(1-3), 2001, pp. 227-232
27. ten Bosch, A
    Transport in nanopores
    SEPARATION AND PURIFICATION TECHNOLOGY
    
    A. ten Bosch, "Transport in nanopores", SEP PURIF T, 25(1-3), 2001, pp. 431-439
28. Hongo, K; Mizuseki, H; Kawazoe, Y
    A Monte Carlo simulation on the process of cluster deposition
    MATERIALS TRANSACTIONS
    
    K. Hongo et al., "A Monte Carlo simulation on the process of cluster deposition", MATER TRANS, 42(3), 2001, pp. 439-442
29. Limoge, Y
    Numerical simulations studies of glasses
    COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE IV PHYSIQUE ASTROPHYSIQUE
    
    Y. Limoge, "Numerical simulations studies of glasses", CR AC S IV, 2(2), 2001, pp. 263-283
30. Zakharov, AV; Dong, RY
    The flexoelectric effect in nematic liquid crystals: A statistical-mechanical approach
    EUROPEAN PHYSICAL JOURNAL E
    
    A.V. Zakharov e R.Y. Dong, "The flexoelectric effect in nematic liquid crystals: A statistical-mechanical approach", EUR PHY J E, 6(1), 2001, pp. 3-6
31. Polson, JM; Vattulainen, I; Zhu, H; Zuckermann, H
    Simulation study of lateral diffusion in lipid-sterol bilayer mixtures
    EUROPEAN PHYSICAL JOURNAL E
    
    J.M. Polson et al., "Simulation study of lateral diffusion in lipid-sterol bilayer mixtures", EUR PHY J E, 5(4), 2001, pp. 485-497
32. Zakharov, AV; Maliniak, A
    Theoretical investigations of rotational phenomena and dielectric properties in a nematic liquid crystal
    EUROPEAN PHYSICAL JOURNAL E
    
    A.V. Zakharov e A. Maliniak, "Theoretical investigations of rotational phenomena and dielectric properties in a nematic liquid crystal", EUR PHY J E, 4(4), 2001, pp. 435-443
33. Csajka, FS; Netz, RR; Seidel, C; Joanny, JF
    Collapse of polyelectrolyte brushes: Scaling theory and simulations
    EUROPEAN PHYSICAL JOURNAL E
    
    F.S. Csajka et al., "Collapse of polyelectrolyte brushes: Scaling theory and simulations", EUR PHY J E, 4(4), 2001, pp. 505-513
34. Lever, M; Blunt, JW; Maclagan, RGAR
    Some ways of looking at compensatory kosmotropes and different water environments
    COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR AND INTEGRATIVE PHYSIOLOGY
    
    M. Lever et al., "Some ways of looking at compensatory kosmotropes and different water environments", COMP BIOC A, 130(3), 2001, pp. 471-486
35. Locci, E; Dehouck, Y; Casu, M; Saba, G; Lai, A; Luhmer, M; Reisse, J; Bartik, K
    Probing proteins in solution by Xe-129 NMR spectroscopy
    JOURNAL OF MAGNETIC RESONANCE
    
    E. Locci et al., "Probing proteins in solution by Xe-129 NMR spectroscopy", J MAGN RES, 150(2), 2001, pp. 167-174
36. Masuda, Y
    Solvent effect on rotational relaxation time of ammonium ion
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    Y. Masuda, "Solvent effect on rotational relaxation time of ammonium ion", J PHYS CH A, 105(13), 2001, pp. 2989-2996
37. Siavosh-Haghighi, A; Adams, JE
    Rotational relaxation in a nondipolar supercritical fluid: Toluene in CO2
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    A. Siavosh-Haghighi e J.E. Adams, "Rotational relaxation in a nondipolar supercritical fluid: Toluene in CO2", J PHYS CH A, 105(12), 2001, pp. 2680-2686
38. Pavel, D; Ball, J; Bhattacharya, S; Shanks, R; Hurduc, N; Catanescu, O
    Molecular simulation and experimental characterisation of monotropic and enantiotropic polymers containing azobenzene and diphenyl mesogens
    COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    
    D. Pavel et al., "Molecular simulation and experimental characterisation of monotropic and enantiotropic polymers containing azobenzene and diphenyl mesogens", COMP TH POL, 11(4), 2001, pp. 303-318
39. Abu-Sharkh, BF
    Glass transition temperature of poly(vinylchloride) from molecular dynamics simulation: explicit atom model versus rigid CH2 and CHCl groups model
    COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    
    B.F. Abu-Sharkh, "Glass transition temperature of poly(vinylchloride) from molecular dynamics simulation: explicit atom model versus rigid CH2 and CHCl groups model", COMP TH POL, 11(1), 2001, pp. 29-34
40. Nick, B; Suter, UW
    Solubility of water in polymers - atomistic simulations
    COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    
    B. Nick e U.W. Suter, "Solubility of water in polymers - atomistic simulations", COMP TH POL, 11(1), 2001, pp. 49-55
41. Silbert, LE; Ertas, D; Grest, GS; Halsey, TC; Levine, D; Plimpton, SJ
    Granular flow down an inclined plane: Bagnold scaling and rheology - art. no. 051302
    PHYSICAL REVIEW E
    
    L.E. Silbert et al., "Granular flow down an inclined plane: Bagnold scaling and rheology - art. no. 051302", PHYS REV E, 6405(5), 2001, pp. 1302
42. Ahlrichs, P; Everaers, R; Dunweg, B
    Screening of hydrodynamic interactions in semidilute polymer solutions: A computer simulation study - art. no. 040501
    PHYSICAL REVIEW E
    
    P. Ahlrichs et al., "Screening of hydrodynamic interactions in semidilute polymer solutions: A computer simulation study - art. no. 040501", PHYS REV E, 6404(4), 2001, pp. 0501
43. Zakharov, AV; Dong, RY
    Dielectric and elastic properties of liquid crystals - art. no. 031701
    PHYSICAL REVIEW E
    
    A.V. Zakharov e R.Y. Dong, "Dielectric and elastic properties of liquid crystals - art. no. 031701", PHYS REV E, 6403(3), 2001, pp. 1701
44. Jensen, MO; Mouritsen, OG; Peters, GH
    Dipolar and chain-linking effects on the rheology of grafted chains in a nanopore under shear at different grafting densities - art. no. 011507
    PHYSICAL REVIEW E
    
    M.O. Jensen et al., "Dipolar and chain-linking effects on the rheology of grafted chains in a nanopore under shear at different grafting densities - art. no. 011507", PHYS REV E, 6401(1), 2001, pp. 1507
45. Miura, T; Kishi, R; Mikami, M; Tanabe, Y
    Effect of rigidity on the crystallization processes of short polymer melts- art. no. 061807
    PHYSICAL REVIEW E
    
    T. Miura et al., "Effect of rigidity on the crystallization processes of short polymer melts- art. no. 061807", PHYS REV E, 6306(6), 2001, pp. 1807
46. Morozov, IV; Norman, GE; Valuev, AA
    Stochastic properties of strongly coupled plasmas - art. no. 036405
    PHYSICAL REVIEW E
    
    I.V. Morozov et al., "Stochastic properties of strongly coupled plasmas - art. no. 036405", PHYS REV E, 6303(3), 2001, pp. 6405
47. Bunker, A; Dunweg, B
    Parallel excluded volume tempering for polymer melts - art. no. 016701
    PHYSICAL REVIEW E
    
    A. Bunker e B. Dunweg, "Parallel excluded volume tempering for polymer melts - art. no. 016701", PHYS REV E, 6302(2), 2001, pp. 6701
48. Moret, MA; Pascutti, PG; Mundim, KC; Bisch, PM; Nogueira, E
    Multifractality, Levinthal paradox, and energy hypersurface - art. no. 020901
    PHYSICAL REVIEW E
    
    M.A. Moret et al., "Multifractality, Levinthal paradox, and energy hypersurface - art. no. 020901", PHYS REV E, 6302(2), 2001, pp. 0901
49. McDonald, AJ; Allen, MP; Schmid, F
    Surface tension of the isotropic-nematic interface - art. no. 010701
    PHYSICAL REVIEW E
    
    A.J. McDonald et al., "Surface tension of the isotropic-nematic interface - art. no. 010701", PHYS REV E, 6301(1), 2001, pp. 0701
50. Wang, W; Donini, O; Reyes, CM; Kollman, PA
    Biomolecular simulations: Recent developments in force fields, simulationsof enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE
    
    W. Wang et al., "Biomolecular simulations: Recent developments in force fields, simulationsof enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions", ANN R BIO B, 30, 2001, pp. 211-243
51. Karolewski, MA
    Tight-binding potentials for sputtering simulations with fcc and bcc metals
    RADIATION EFFECTS AND DEFECTS IN SOLIDS
    
    M.A. Karolewski, "Tight-binding potentials for sputtering simulations with fcc and bcc metals", RADIAT EFF, 153(3), 2001, pp. 239-255
52. He, G; Robbins, MO
    Simulations of the kinetic friction due to adsorbed surface layers
    TRIBOLOGY LETTERS
    
    G. He e M.O. Robbins, "Simulations of the kinetic friction due to adsorbed surface layers", TRIBOL LETT, 10(1-2), 2001, pp. 7-14
53. Kao, CL; Carlsson, AF; Madix, RJ
    Molecular ethane adsorption dynamics on oxygen-covered Pt(111)
    TOPICS IN CATALYSIS
    
    C.L. Kao et al., "Molecular ethane adsorption dynamics on oxygen-covered Pt(111)", TOP CATAL, 14(1-4), 2001, pp. 63-69
54. Cerrada, ML; Benavente, R; Perez, E
    Effect of short glass fiber on structure and mechanical behavior of an ethylene-1-octene copolymer
    MACROMOLECULAR CHEMISTRY AND PHYSICS
    
    M.L. Cerrada et al., "Effect of short glass fiber on structure and mechanical behavior of an ethylene-1-octene copolymer", MACRO CH P, 202(13), 2001, pp. 2686-2695
55. Chen, CL; Hua, CY; Wu, CR
    Computer simulation of polymer diffusion under external electric field
    MACROMOLECULAR THEORY AND SIMULATIONS
    
    C.L. Chen et al., "Computer simulation of polymer diffusion under external electric field", MACROMOL TH, 10(6), 2001, pp. 644-650
56. Viduna, D; Limpouchova, Z; Prochazka, K
    Conformation of chains in cores of block copolymer micelles with solubilized homopolymer: a Monte Carlo study
    MACROMOLECULAR THEORY AND SIMULATIONS
    
    D. Viduna et al., "Conformation of chains in cores of block copolymer micelles with solubilized homopolymer: a Monte Carlo study", MACROMOL TH, 10(3), 2001, pp. 165-173
57. Ye, ZY; Zhang, QY
    Adatom, vacancy and sputtering yields of energetic Pt atoms impacting on Pt(100) by molecular dynamics simulation
    CHINESE PHYSICS
    
    Z.Y. Ye e Q.Y. Zhang, "Adatom, vacancy and sputtering yields of energetic Pt atoms impacting on Pt(100) by molecular dynamics simulation", CHIN PHYS, 10(4), 2001, pp. 329-334
58. Becker, C; Gspann, J; Kramer, R; Yamaguchi, Y
    Diamond micro- and nanostructuring by accelerated cluster erosion
    CHINESE PHYSICS
    
    C. Becker et al., "Diamond micro- and nanostructuring by accelerated cluster erosion", CHIN PHYS, 10, 2001, pp. S174-S178
59. Zhou, GH; Gao, KW; Wang, FR; Qiao, LJ; Chu, WY
    Molecular dynamics simulation of microcrack healing in aluminium
    PROGRESS IN NATURAL SCIENCE
    
    G.H. Zhou et al., "Molecular dynamics simulation of microcrack healing in aluminium", PROG NAT SC, 11(3), 2001, pp. 215-220
60. Yang, C; Chen, M; Guo, ZY
    Molecular dynamics simulations on specific heat capacity and glass transition temperature of liquid silver
    CHINESE SCIENCE BULLETIN
    
    C. Yang et al., "Molecular dynamics simulations on specific heat capacity and glass transition temperature of liquid silver", CHIN SCI B, 46(12), 2001, pp. 1051-1053
61. Xu, Y; Pan, ZY; Wang, YX
    Molecular-dynamics simulations of low-energy Cu-6 cluster deposition on Cu(001) and Au(001) surfaces
    ACTA PHYSICA SINICA
    
    Y. Xu et al., "Molecular-dynamics simulations of low-energy Cu-6 cluster deposition on Cu(001) and Au(001) surfaces", ACT PHY C E, 50(1), 2001, pp. 88-94
62. Kruger, P; Verheyden, S; Declerck, PJ; Engelborghs, Y
    Extending the capabilities of targeted molecular dynamics: Simulation of alarge conformational transition in plasminogen activator inhibitor 1
    PROTEIN SCIENCE
    
    P. Kruger et al., "Extending the capabilities of targeted molecular dynamics: Simulation of alarge conformational transition in plasminogen activator inhibitor 1", PROTEIN SCI, 10(4), 2001, pp. 798-808
63. Kahlow, UHM; Schmid, RD; Pleiss, J
    A model of the pressure dependence of the enantio selectivity of Candida rugosa lipase towards (+/-)-menthol
    PROTEIN SCIENCE
    
    U.H.M. Kahlow et al., "A model of the pressure dependence of the enantio selectivity of Candida rugosa lipase towards (+/-)-menthol", PROTEIN SCI, 10(10), 2001, pp. 1942-1952
64. Trachenko, KO; Dove, MT; Salje, EKH
    Atomistic modelling of radiation damage in zircon
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    K.O. Trachenko et al., "Atomistic modelling of radiation damage in zircon", J PHYS-COND, 13(9), 2001, pp. 1947-1959
65. Genser, O; Hafner, J
    First-principles studies of the stability of Zintl ions in alkali-tin alloys: I. Crystalline intermetallic compounds
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    O. Genser e J. Hafner, "First-principles studies of the stability of Zintl ions in alkali-tin alloys: I. Crystalline intermetallic compounds", J PHYS-COND, 13(5), 2001, pp. 959-980
66. Genser, O; Hafner, J
    First-principles studies of the stability of Zintl ions in alkali-tin alloys: II. Liquid alloys
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    O. Genser e J. Hafner, "First-principles studies of the stability of Zintl ions in alkali-tin alloys: II. Liquid alloys", J PHYS-COND, 13(5), 2001, pp. 981-1021
67. Chelikowsky, JR; Derby, JJ; Godlevsky, VV; Jain, M; Raty, JY
    Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    J.R. Chelikowsky et al., "Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method", J PHYS-COND, 13(41), 2001, pp. R817-R854
68. Winkelmann, J
    The liquid-vapour interface of pure fluids and mixtures: application of computer simulation and density functional theory
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    J. Winkelmann, "The liquid-vapour interface of pure fluids and mixtures: application of computer simulation and density functional theory", J PHYS-COND, 13(21), 2001, pp. 4739-4768
69. Prange, W; Kurbjuhn, T; Tolan, M; Press, W
    The structure of hexane/perfluorohexane thin liquid films
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    W. Prange et al., "The structure of hexane/perfluorohexane thin liquid films", J PHYS-COND, 13(21), 2001, pp. 4957-4972
70. Hoog, C; Landersjo, C; Widmalm, G
    Oligosaccharides display both rigidity and high flexibility in water as determined by C-13 NMR relaxation and H-1,H-1 NOE spectroscopy: Evidence of anti-phi and anti-psi, torsions in the same glycosidic linkage
    CHEMISTRY-A EUROPEAN JOURNAL
    
    C. Hoog et al., "Oligosaccharides display both rigidity and high flexibility in water as determined by C-13 NMR relaxation and H-1,H-1 NOE spectroscopy: Evidence of anti-phi and anti-psi, torsions in the same glycosidic linkage", CHEM-EUR J, 7(14), 2001, pp. 3069-3077
71. Schwarzer, D; Schroeder, J; Schroder, C
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    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    
    D. Schwarzer et al., "Quantum yields for the photodissociation of iodine in compressed liquids and supercritical fluids", Z PHYS CHEM, 215, 2001, pp. 183-195
72. Matsumiya, M; Takagi, R
    Molecular dynamics study on the adsorption selectivity for negative elements in aluminosilicates
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    
    M. Matsumiya e R. Takagi, "Molecular dynamics study on the adsorption selectivity for negative elements in aluminosilicates", Z NATURFO A, 56(6-7), 2001, pp. 459-465
73. Matsumiya, M; Takagi, R
    A molecular dynamics simulation of the electric and thermodynamic properties in molten (Nd-1/3, Na or K)Cl mixtures
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    
    M. Matsumiya e R. Takagi, "A molecular dynamics simulation of the electric and thermodynamic properties in molten (Nd-1/3, Na or K)Cl mixtures", Z NATURFO A, 56(6-7), 2001, pp. 466-472
74. Matsumiya, M; Takagi, R
    Molecular dynamics simulation of the internal mobilities in molten (Dy-1/3,K)Cl
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    
    M. Matsumiya e R. Takagi, "Molecular dynamics simulation of the internal mobilities in molten (Dy-1/3,K)Cl", Z NATURFO A, 56(3-4), 2001, pp. 273-278
75. Matsumiya, M; Takagi, R
    Estimation of the enrichment of Cs in molten chloride and fluoride systemsby molecular dynamics simulation
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    
    M. Matsumiya e R. Takagi, "Estimation of the enrichment of Cs in molten chloride and fluoride systemsby molecular dynamics simulation", Z NATURFO A, 56(3-4), 2001, pp. 279-287
76. Reddy, BSP; Sharma, SK; Lown, JW
    Recent developments in sequence selective minor groove DNA effectors
    CURRENT MEDICINAL CHEMISTRY
    
    B.S.P. Reddy et al., "Recent developments in sequence selective minor groove DNA effectors", CURR MED CH, 8(5), 2001, pp. 475-508
77. Marelius, J; Ljungberg, KB; Aqvist, J
    Sensitivity of an empirical affinity scoring function to changes in receptor-ligand complex conformations
    EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
    
    J. Marelius et al., "Sensitivity of an empirical affinity scoring function to changes in receptor-ligand complex conformations", EUR J PH SC, 14(1), 2001, pp. 87-95
78. Yamada, I; Matsuo, J; Toyoda, N; Kirkpatrick, A
    Materials processing by gas cluster ion beams
    MATERIALS SCIENCE & ENGINEERING R-REPORTS
    
    I. Yamada et al., "Materials processing by gas cluster ion beams", MAT SCI E R, 34(6), 2001, pp. 231-295
79. MacElroy, JMD; Pozhar, LA; Suh, SH
    Self-diffusion in a fluid confined within a model nanopore structure
    COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    
    J.M.D. MacElroy et al., "Self-diffusion in a fluid confined within a model nanopore structure", COLL SURF A, 187, 2001, pp. 493-507
80. Brennan, JK; Bandosz, TJ; Thomson, KT; Gubbins, KE
    Water in porous carbons
    COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
    
    J.K. Brennan et al., "Water in porous carbons", COLL SURF A, 187, 2001, pp. 539-568
81. Kang, JW; Hwang, HJ
    Molecular dynamics simulations of ionized cluster beam deposition: case ofstudy of aluminum
    COMPUTATIONAL MATERIALS SCIENCE
    
    J.W. Kang e H.J. Hwang, "Molecular dynamics simulations of ionized cluster beam deposition: case ofstudy of aluminum", COMP MAT SC, 21(4), 2001, pp. 509-514
82. Li, S; Gao, KW; Qiao, LJ; Zhou, FX; Chu, WY
    Molecular dynamics simulation of microcrack healing in copper
    COMPUTATIONAL MATERIALS SCIENCE
    
    S. Li et al., "Molecular dynamics simulation of microcrack healing in copper", COMP MAT SC, 20(2), 2001, pp. 143-150
83. Salgado, J; Grage, SL; Kondejewski, LH; Hodges, RS; McElhaney, RN; Ulrich, AS
    Membrane-bound structure and alignment of the antimicrobial beta-sheet peptide gramicidin S derived from angular and distance constraints by solid state F-19-NMR
    JOURNAL OF BIOMOLECULAR NMR
    
    J. Salgado et al., "Membrane-bound structure and alignment of the antimicrobial beta-sheet peptide gramicidin S derived from angular and distance constraints by solid state F-19-NMR", J BIOM NMR, 21(3), 2001, pp. 191-208
84. Peter, C; Daura, X; van Gunsteren, WF
    Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations
    JOURNAL OF BIOMOLECULAR NMR
    
    C. Peter et al., "Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations", J BIOM NMR, 20(4), 2001, pp. 297-310
85. Hassan, FE; Zaoui, A; Sekkal, W
    Structural properties of copper halides
    MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY
    
    F.E. Hassan et al., "Structural properties of copper halides", MAT SCI E B, 87(1), 2001, pp. 40-47
86. Komanduri, R; Chandrasekaran, N; Raff, LM
    MD simulation of exit failure in nanometric cutting
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
    
    R. Komanduri et al., "MD simulation of exit failure in nanometric cutting", MAT SCI E A, 311(1-2), 2001, pp. 1-12
87. Shimono, M; Onodera, H
    Molecular dynamics study on formation and crystallization of Ti-Al amorphous alloys
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
    
    M. Shimono e H. Onodera, "Molecular dynamics study on formation and crystallization of Ti-Al amorphous alloys", MAT SCI E A, 304, 2001, pp. 515-519
88. Papanicolaou, NI; Papatanakos, VC; Papageorgiou, DG
    Self-diffusion on Al(100) and Al(111) surfaces by molecular-dynamics simulation
    PHYSICA B
    
    N.I. Papanicolaou et al., "Self-diffusion on Al(100) and Al(111) surfaces by molecular-dynamics simulation", PHYSICA B, 296(1-3), 2001, pp. 259-263
89. Yonezawa, F; Ohtani, H; Yamaguchi, T
    A completely new type of Bloch-Wilson nonmetal-to-metal transition
    PHYSICA B
    
    F. Yonezawa et al., "A completely new type of Bloch-Wilson nonmetal-to-metal transition", PHYSICA B, 296(1-3), 2001, pp. 289-300
90. Suh, SH; Park, JW; Ha, KR; Kim, SC; Macelroy, JMD
    Molecular dynamics simulations for 1 : 1 solvent primitive model electrolyte solutions
    MOLECULAR SIMULATION
    
    S.H. Suh et al., "Molecular dynamics simulations for 1 : 1 solvent primitive model electrolyte solutions", MOL SIMULAT, 27(5-6), 2001, pp. 387-403
91. Travis, KP; Gubbins, KE
    Computer simulation of isothermal mass transport in graphite slit pores
    MOLECULAR SIMULATION
    
    K.P. Travis e K.E. Gubbins, "Computer simulation of isothermal mass transport in graphite slit pores", MOL SIMULAT, 27(5-6), 2001, pp. 405-439
92. Yurtsever, M
    Molecular dynamics simulation of model lipid membranes: Structural effectsof impurities
    MOLECULAR SIMULATION
    
    M. Yurtsever, "Molecular dynamics simulation of model lipid membranes: Structural effectsof impurities", MOL SIMULAT, 27(3), 2001, pp. 187-197
93. Delle Site, L
    Methane in water: An ab initio study
    MOLECULAR SIMULATION
    
    L. Delle Site, "Methane in water: An ab initio study", MOL SIMULAT, 26(5), 2001, pp. 353
94. Yonetani, Y; Yokoi, K
    Promotion of crystal phase transitions by mass-of-cell control in molecular dynamics simulations: Phase transitions in benzene crystals
    MOLECULAR SIMULATION
    
    Y. Yonetani e K. Yokoi, "Promotion of crystal phase transitions by mass-of-cell control in molecular dynamics simulations: Phase transitions in benzene crystals", MOL SIMULAT, 26(4), 2001, pp. 273-285
95. San-Miguel, MA; Rodger, PM
    Simulation of deposition of wax to iron oxide surfaces
    MOLECULAR SIMULATION
    
    M.A. San-Miguel e P.M. Rodger, "Simulation of deposition of wax to iron oxide surfaces", MOL SIMULAT, 26(3), 2001, pp. 193
96. Tanimura, S; Matsuoka, T; Nakano, M; Usuki, A
    Molecular dynamics study of the stereostructure of 1,4-linked poly(cyclohexa-1,3-diene) obtained with pi-allylnickel-based catalysts
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
    
    S. Tanimura et al., "Molecular dynamics study of the stereostructure of 1,4-linked poly(cyclohexa-1,3-diene) obtained with pi-allylnickel-based catalysts", J POL SC PP, 39(9), 2001, pp. 973-978
97. Abe, Y; Tashiro, K
    Computer simulation of structure and ferroelectric phase transition of vinylidene fluoride copolymers. IV. The factors governing the ferroelectric phase transition of VDF-TrFE copolymers
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
    
    Y. Abe e K. Tashiro, "Computer simulation of structure and ferroelectric phase transition of vinylidene fluoride copolymers. IV. The factors governing the ferroelectric phase transition of VDF-TrFE copolymers", J POL SC PP, 39(6), 2001, pp. 689-702
98. Cerrada, ML; Benavente, R; Perez, E; Perena, JM
    The effect of annealing on the structure and relaxation processes of vinylalcohol-ethylene copolymers
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
    
    M.L. Cerrada et al., "The effect of annealing on the structure and relaxation processes of vinylalcohol-ethylene copolymers", J POL SC PP, 39(1), 2001, pp. 1-12
99. Horii, K; Saito, M; Yoda, T; Tsumoto, K; Matsushima, M; Kuwajima, K; Kumagai, I
    Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches
    PROTEINS-STRUCTURE FUNCTION AND GENETICS
    
    K. Horii et al., "Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches", PROTEINS, 45(1), 2001, pp. 16-29
100. Liu, HY; Elstner, M; Kaxiras, E; Frauenheim, T; Hermans, J; Yang, WT
     Quantum mechanics simulation of protein dynamics on long timescale
     PROTEINS-STRUCTURE FUNCTION AND GENETICS
     
     H.Y. Liu et al., "Quantum mechanics simulation of protein dynamics on long timescale", PROTEINS, 44(4), 2001, pp. 484-489